Email: baopeng @iccas.ac.cn
Education and Employment:
1996: Tsinghua University, B.S. in Physics Chemistry and Instrumental Analysis, Minor in Applied Mathematics.
1999: Lanzhou University, M.S. in Organic Chemistry.
1998-1999: Beijing Medical University, Visiting Scholar, School of Pharmaceutical Science.
1999: Beijing Honghui Biology Pharmaceutical Co., Ltd, Engineer, Pharmaceutical Research Institute.
6/2007: Institute of Chemistry, Chinese Academy of Sciences, Ph.D. in Physics Chemistry (in theoretical and computational area), Advisor: Prof. Zhongheng Yu, State Key Laboratory for Structural Chemistry of Unstable & Stable Species.
7/2007-3/2010: Institute of Chemistry, Chinese Academy of Sciences, Assistant Professor/Associate Professor, State Key Laboratory for Structural Chemistry of Unstable & Stable Species.
3/2010-10/2012: University of Minnesota, Postdoctoral Associate, Advisor: Prof. Jiali Gao, Department of Chemistry.
2/2018-5/2019: Caltech, Visiting Associate (with Prof. Garnet Chan)
11/2012-Present: Institute of Chemistry, Chinese Academy of Sciences, Associate Professor, State Key Laboratory for Structural Chemistry of Unstable & Stable Species.
Multistate density function tight binding (MSDFTB)
The restrictions of orbital interactions and geometry optimization (RGO)
Electron, Proton and excited state energy transfer
Intra- and inter-molecular interaction, electronic localization and aromaticity
Mo, Y.; Bao, P.; Gao, J. Energy decomposition analysis based on a block-localized wavefunction and multistate density functional theory Phys. Chem. Chem. Phys. 2011, 13, 6760-6775 (Perspective Article).
Bao, P.; Yu, Z. H. New procedure to evaluate aromaticity at the density functional theory, Hartree–Fock, and post-self-consistent field levels J. Comput. Chem. 2011, 32, 248–259.
Bao, P.; Yu, Z. H. Restricted Geometry Optimization: a Different Way to Estimate Stabilization Energies for Aromatic Molecules of Various Types, J. Phys. Chem. A 2007, 111, 5304-5313.